MMsINC Database Search


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MMsINC code: MMs02878772

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

O(C)c1cc2c(cc1C(O)\C=C\c1ccccc1)cccc2

InChI:

InChI=1/C20H18O2/c1-22-20-14-17-10-6-5-9-16(17)13-18(20)19(21)12-11-15-7-3-2-4-8-15/h2-14,19,21H,1H3/b12-11+/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7064 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -5.35788	SlogP: 4.6907	Reactive groups: 0

Topological Properties
Globularity: 0.12077	Sterimol/B1: 2.2149	Sterimol/B2: 3.49674	Sterimol/B3: 4.8034
Sterimol/B4: 7.82893	Sterimol/L: 15.8181

Surface and Volume Properties
Accessible surface: 557.809	Positive charged surface: 324.385	Negative charged surface: 220.92	Volume: 298.875
Hydrophobic surface: 509.594	Hydrophilic surface: 48.215

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.